BDBM50254098 CHEMBL4098363

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)NCC(N)=O

InChI Key: InChIKey=WTSQMOAJTSQRKS-HYROADNPSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50254098   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50254098 (CHEMBL4098363) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C46H83N17O12S/c1-5-24(3)36(43(74)56-20-32(48)64)62-41(72)29(15-11-17-54-46(51)52)59-42(73)31(19-35(67)68)61-44(75)37(25(4)6-2)63-40(71)28(14-10-16-53-45(49)50)58-34(66)22-55-33(65)21-57-39(70)30(60-38(69)27(47)23-76)18-26-12-8-7-9-13-26/h24-31,36-37,76H,5-23,47H2,1-4H3,(H2,48,64)(H,55,65)(H,56,74)(H,57,70)(H,58,66)(H,59,73)(H,60,69)(H,61,75)(H,62,72)(H,63,71)(H,67,68)(H4,49,50,53)(H4,51,52,54)/t24-,25-,27-,28-,29-,30-,31-,36-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-human ANP from His-tagged and Fc fragment containing human NPR-3 extracellular domain expressed in FreeStyle 293 cells incubat...				Bioorg Med Chem Lett 27: 3542-3545 (2017) Article DOI: 10.1016/j.bmcl.2017.05.061 BindingDB Entry DOI: 10.7270/Q2F19241
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor (Homo sapiens (Human))	BDBM50254098 (CHEMBL4098363) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C46H83N17O12S/c1-5-24(3)36(43(74)56-20-32(48)64)62-41(72)29(15-11-17-54-46(51)52)59-42(73)31(19-35(67)68)61-44(75)37(25(4)6-2)63-40(71)28(14-10-16-53-45(49)50)58-34(66)22-55-33(65)21-57-39(70)30(60-38(69)27(47)23-76)18-26-12-8-7-9-13-26/h24-31,36-37,76H,5-23,47H2,1-4H3,(H2,48,64)(H,55,65)(H,56,74)(H,57,70)(H,58,66)(H,59,73)(H,60,69)(H,61,75)(H,62,72)(H,63,71)(H,67,68)(H4,49,50,53)(H4,51,52,54)/t24-,25-,27-,28-,29-,30-,31-,36-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-human ANP from human NPR-1 incubated for 2 hrs by top count method				Bioorg Med Chem Lett 27: 3542-3545 (2017) Article DOI: 10.1016/j.bmcl.2017.05.061 BindingDB Entry DOI: 10.7270/Q2F19241
					More data for this Ligand-Target Pair